2-[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,2,4-thiadiazol-3-yl]phenoxy]-N-propan-2-ylacetamide

C20H19ClN6O2S — CID 139481726

About 2-[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,2,4-thiadiazol-3-yl]phenoxy]-N-propan-2-ylacetamide

2-[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,2,4-thiadiazol-3-yl]phenoxy]-N-propan-2-ylacetamide (PubChem CID 139481726) has the molecular formula C20H19ClN6O2S and a molecular weight of 442.93 g/mol. Its IUPAC name is 2-[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,2,4-thiadiazol-3-yl]phenoxy]-N-propan-2-ylacetamide.

Molecular Properties

• Compound Name: 2-[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,2,4-thiadiazol-3-yl]phenoxy]-N-propan-2-ylacetamide
• PubChem CID: 139481726
• Molecular Formula: C20H19ClN6O2S
• Molecular Weight: 442.93 g/mol
• Exact Mass: 442.10
• IUPAC Name: 2-[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,2,4-thiadiazol-3-yl]phenoxy]-N-propan-2-ylacetamide
• SMILES: CC(C)NC(=O)COc1cccc(-c2nsc(Nc3ccc4[nH]ncc4c3Cl)n2)c1
• InChI: InChI=1S/C20H19ClN6O2S/c1-11(2)23-17(28)10-29-13-5-3-4-12(8-13)19-25-20(30-27-19)24-16-7-6-15-14(18(16)21)9-22-26-15/h3-9,11H,10H2,1-2H3,(H,22,26)(H,23,28)(H,24,25,27)
• InChIKey: OFERVEHRZZOQID-UHFFFAOYSA-N
• XLogP: 4.38
• TPSA: 104.82 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.93
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,2,4-thiadiazol-3-yl]phenoxy]-N-propan-2-ylacetamide?

The IUPAC name of 2-[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,2,4-thiadiazol-3-yl]phenoxy]-N-propan-2-ylacetamide (CID 139481726) is 2-[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,2,4-thiadiazol-3-yl]phenoxy]-N-propan-2-ylacetamide.

What is the SMILES notation for 2-[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,2,4-thiadiazol-3-yl]phenoxy]-N-propan-2-ylacetamide?

The canonical SMILES for 2-[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,2,4-thiadiazol-3-yl]phenoxy]-N-propan-2-ylacetamide is CC(C)NC(=O)COc1cccc(-c2nsc(Nc3ccc4[nH]ncc4c3Cl)n2)c1.

What is the InChIKey of 2-[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,2,4-thiadiazol-3-yl]phenoxy]-N-propan-2-ylacetamide?

The InChIKey is OFERVEHRZZOQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN6O2S/c1-11(2)23-17(28)10-29-13-5-3-4-12(8-13)19-25-20(30-27-19)24-16-7-6-15-14(18(16)21)9-22-26-15/h3-9,11H,10H2,1-2H3,(H,22,26)(H,23,28)(H,24,25,27).

What are the key properties of 2-[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,2,4-thiadiazol-3-yl]phenoxy]-N-propan-2-ylacetamide?

2-[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,2,4-thiadiazol-3-yl]phenoxy]-N-propan-2-ylacetamide has a molecular weight of 442.93 g/mol, XLogP of 4.38, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,2,4-thiadiazol-3-yl]phenoxy]-N-propan-2-ylacetamide is sourced from PubChem (CID 139481726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).